UCSF

ZINC60021653

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 33 Yes

Popular Name: (2S)-1-[3-[4-(4-aminophenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[3-[4-(4-aminophenyl)pipe…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 11.95 -56.34 4 6 1 66 442.587 6 ↓
Hi High (pH 8-9.5) 3.58 9.75 -13.69 3 6 0 65 441.579 6 ↓
Lo Low (pH 4.5-6) 3.58 11.82 -108.38 5 6 2 68 443.595 6 ↓
Lo Low (pH 4.5-6) 3.58 12.59 -133.46 5 6 2 67 443.595 6 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.